ChemSpider 2D Image | Methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate 6-oxide | C33H40N2O10

Methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate 6-oxide

  • Molecular FormulaC33H40N2O10
  • Average mass624.678 Da
  • Monoisotopic mass624.268311 Da
  • ChemSpider ID58798804

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,3R,4aS,13bR,14aS) 6-Oxyde de 2,11-diméthoxy-3-[(3,4,5-triméthoxybenzoyl)oxy]-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodécahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoléine-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benz[g]indolo[2,3-a]quinolizine-1-carboxylic acid, 1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, 6-oxide, (1S,2R,3R,4aS,13bR,14aS)- [ACD/Index Name]
Methyl (1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate 6-oxide [ACD/IUPAC Name]
Methyl-(1S,2R,3R,4aS,13bR,14aS)-2,11-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isochinolin-1-carboxylat-6-oxid [German] [ACD/IUPAC Name]
474-48-6 [RN]
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-13-oxido-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-13-ium-19-carboxylate
Reserpin N-oxide
Reserpine N-Oxide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density:
    Boiling Point:
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    Enthalpy of Vaporization:
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    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 12
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 47.18
    ACD/KOC (pH 5.5): 526.70
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 54.52
    ACD/KOC (pH 7.4): 608.67
    Polar Surface Area: 132 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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